N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17F3N8O — CID 122181639

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28)
InChIKeyVLHFNGSBSOWHQS-UHFFFAOYSA-N
MW394.36 g/mol
LogP1.14
Rot. Bonds3

About N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181639) has the molecular formula C16H17F3N8O and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122181639
Molecular FormulaC16H17F3N8O
Molecular Weight394.36 g/mol
Exact Mass394.15
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28)
InChIKeyVLHFNGSBSOWHQS-UHFFFAOYSA-N
XLogP1.14
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181639) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VLHFNGSBSOWHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).